Mrv0541 02231214442D          

  5  4  0  0  0  0            999 V2000
    0.5834    0.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5834   -0.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834   -0.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834    0.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D4686

> <DATABASE_NAME>
t3db

> <SMILES>
N[Pt](N)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.2H2N.Pt/h2*1H;2*1H2;/q;;2*-1;+4/p-2

> <INCHI_KEY>
DQLATGHUWYMOKM-UHFFFAOYSA-L

> <FORMULA>
Cl2H4N2Pt

> <MOLECULAR_WEIGHT>
298.035

> <EXACT_MASS>
296.939928001

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
10.307110976312632

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloroplatinumdiamine

> <JCHEM_LOGP>
0.04139999999999977

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.061191028666678

> <JCHEM_POLAR_SURFACE_AREA>
52.04

> <JCHEM_REFRACTIVITY>
22.8408

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
diamminedichloroplatinum

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D4686

> <NAME>
Cisplatin

> <CAS>
15663-27-1

> <SYNONYMS>
CDDP; Cis-DDP; Cisplatyl; Platidiam; Trans-DDP

> <TYPES>
Inorganic Compound; Drug; Antineoplastic Agent; Radiation-Sensitizing Agent; Cross-Linking Reagent; Metabolite; Synthetic Compound

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