General Information of the Compound
| Compound ID |
CP0464976
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| Compound Name |
US8969358, 133
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| Structure |
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| Formula |
C30H35N5O5
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| Molecular Weight |
545.64
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| Canonical SMILES |
COC12CC[C@@]3(C[C@@H]1CNC(=O)c1nccnc1C(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C30H35N5O5/c1-39-30-7-6-28(13-18(30)14-34-26(38)23-22(25(31)37)32-9-10-33-23)20-12-17-4-5-19(36)24-21(17)29(28,27(30)40-24)8-11-35(20)15-16-2-3-16/h4-5,9-10,16,18,20,27,36H,2-3,6-8,11-15H2,1H3,(H2,31,37)(H,34,38)/t18-,20-,27-,28-,29+,30?/m1/s1
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| InChIKey |
PBPDWTDZBQWZTN-DYUALFPNSA-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