General Information of the Compound
| Compound ID |
CP0887479
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| Compound Name |
SID87336770
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| Structure |
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| Formula |
C34H43ClN4O5
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| Molecular Weight |
623.194
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| Canonical SMILES |
COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)c4[nH]c5ccc(Cl)cc5c4CCN3C2=O)cc1OC
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| InChI |
InChI=1S/C34H43ClN4O5/c1-19(2)39(20(3)4)33(42)26-15-22(16-30(40)36-18-21-8-11-28(43-6)29(14-21)44-7)32(41)38-13-12-24-25-17-23(35)9-10-27(25)37-31(24)34(26,38)5/h8-11,14,17,19-20,22,26,37H,12-13,15-16,18H2,1-7H3,(H,36,40)/t22-,26-,34+/m1/s1
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| InChIKey |
OSBHIKJHDVBVQF-SAYGYDPZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3